CID 79475050

Methyl 2-{[1,3]thiazolo[4,5-c]pyridin-2-yl}acetate

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
COC(=O)CC1=NC2=C(S1)C=CN=C2
InChI
InChI=1S/C9H8N2O2S/c1-13-9(12)4-8-11-6-5-10-3-2-7(6)14-8/h2-3,5H,4H2,1H3
InChIKey
KOSIDCYEHYGUMB-UHFFFAOYSA-N
Compound name
methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 141.0
[M+Na]+ 231.019868 152.4
[M-H]- 207.023374 144.1
[M+NH4]+ 226.064473 161.2
[M+K]+ 246.993808 149.7
[M+H-H2O]+ 191.027910 134.7
[M+HCOO]- 253.028851 159.8
[M+CH3COO]- 267.044501 182.1
[M+Na-2H]- 229.005316 145.7
[M]+ 208.03010142 147.3
[M]- 208.03119858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.